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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameP2Y purinoceptor 1
SpeciesHomo sapiens (Human)
GeneP2RY1
SynonymATP receptor
Purinergic receptor P2Y1
purinergic receptor P2Y
Purinergic receptor
platelet ADP receptor
[ Show all ]
DiseaseThrombosis
Length373
Amino acid sequenceMTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
UniProtP47900
Protein Data Bank4xnv, 4xnw
GPCR-HGmod modelP47900
3D structure modelThis structure is from PDB ID 4xnv.
BioLiPBL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597
Therapeutic Target DatabaseT67818
ChEMBLCHEMBL4315
IUPHAR323
DrugBankN/A

Known ligands

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Total entries: 912
Page:  / 10 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
2392D structureCHEMBL3092622C28H24F3N5O3535.5279 / 24.8No
4592382D structureCHEMBL3896467C31H32ClF3N6OS629.14311 / 27.8No
6362D structureCHEMBL3287047C31H35F3N4O3568.6418 / 37.1No
5573322D structureCHEMBL3901297C38H37ClF3N5O3S736.25110 / 39.8No
5573432D structureSCHEMBL15597014C31H27ClF4N6O2S659.10110 / 37.8No
19782D structureCHEMBL3287049C31H33ClFN5O2S594.1467 / 37.4No
5339212D structureCHEMBL3977624C31H38ClN5O2S580.1886 / 37.0No
30312D structureCHEMBL2071539C20H22N4O4S414.486 / 33.0Yes
32112D structureCHEMBL3092630C22H19F3N4O3444.4148 / 23.9Yes
5532592D structureadenosine-2'-5'-diphosphateC10H15N5O10P2427.20314 / 6-4.6No
5339242D structureCHEMBL3930814C35H50F3N5O2629.8138 / 37.5No
5574062D structureSCHEMBL17077170C30H21F3N6O2S2618.65311 / 37.5No
54992D structureBPTUC23H22F3N3O3445.4427 / 26.1No
56342D structureCHEMBL453637C25H25N3O3415.4934 / 15.8No
5339322D structureCHEMBL3946708C34H43ClN4O2575.1944 / 38.2No
5574762D structureCHEMBL3892685C38H36ClFN6O2S2727.3149 / 39.5No
68232D structureCHEMBL268784C35H18F2N4Na6O21S61198.8323 / 4N/ANo
4419782D structureCHEMBL3314303C30H24F5N3O3569.5329 / 37.7No
5361582D structureSCHEMBL15597032C24H19F6N3O2495.4259 / 35.9No
5339372D structureCHEMBL3954066C30H36ClN5O2S2598.2217 / 36.4No
74472D structureCHEMBL375022C13H17IN5O5P481.1879 / 4-0.7Yes
74632D structureCHEMBL454910C25H25BrN2O449.3922 / 16.7No
75312D structureCHEMBL413910C51H34N6Na6O25S61461.1525 / 6N/ANo
5575112D structureSCHEMBL15596905C32H27F3N4O4588.5879 / 37.8No
83022D structureCHEMBL2333769C24H28N4O388.5153 / 25.5No
5361892D structureSCHEMBL17077212C23H26FN5O2S2487.6128 / 35.9No
87452D structureCHEMBL2333766C23H25N3O2375.4723 / 25.3No
5362362D structureSCHEMBL15596991C30H23ClF5N3O3603.9749 / 38.4No
97452D structureUniblue A sodium saltC22H15N2NaO7S2506.4799 / 2N/ANo
100072D structureCHEMBL2401802C27H28N4O2S472.6076 / 16.7No
4593132D structureSCHEMBL1572821C35H45N5535.784 / 29.2No
5575922D structureCHEMBL3314316C29H22F6N4O3588.5111 / 37.4No
5575942D structureCHEMBL3906376C37H35Cl2N7O2S2744.7549 / 39.7No
112282D structureCHEMBL402793C23H18F3N5O3469.4248 / 24.8Yes
112502D structureCHEMBL2401799C28H31N3OS457.6365 / 18.7No
114792D structureCHEMBL402837C26H23F3N4O2480.4916 / 26.4No
5576242D structureCHEMBL3924070C34H34ClFN6O2S2677.2549 / 38.4No
5576272D structureSCHEMBL15596961C31H24F4N4O4592.55110 / 37.5No
120902D structureCHEMBL3092632C28H31F3N4O3528.5768 / 26.4No
125372D structureCHEMBL1162198C18H27N5O22P4789.32222 / 10-9.4No
125872D structureCHEMBL2393195C20H22N4O3S398.4818 / 15.3No
5339672D structureCHEMBL3925641C31H31F4N5O2S613.67610 / 37.3No
5363262D structureSCHEMBL15597029C30H34N4O2482.6284 / 36.8No
129932D structureCHEMBL1169909C29H32N2O2440.5872 / 28.1No
131962D structureCHEMBL404869C28H30N4O3470.5734 / 26.3No
132852D structureCHEMBL2401863C25H22F3N3O2S485.5259 / 27.5No
144572D structureCHEMBL461532C25H25ClN2O404.9382 / 16.6No
5218832D structureCHEMBL3745863C27H37ClN10Na4O16P4S41137.1928 / 6N/ANo
153512D structureCHEMBL2112865C14H21N5O8P2S481.35713 / 5-1.7No
156212D structureCHEMBL2381896C26H29FN4O3464.5416 / 24.8Yes
163232D structureCHEMBL288798C11H16ClN5O9P2459.67313 / 5-1.3No
182672D structureCHEMBL401657C26H26N4O3442.5194 / 25.5No
183092D structureCHEMBL375682C14H18N6O8P2460.2813 / 5-2.5No
5578372D structureCHEMBL3961183C38H35Cl2FN6O2S2761.7569 / 310.2No
5220272D structureCHEMBL3746558C22H28N10Na4O17P4S41048.6129 / 6N/ANo
4593912D structureCHEMBL3926419C34H36F3N5O3S651.74912 / 28.1No
198672D structureCHEMBL3104629C29H31F3N4O3540.5878 / 25.6No
5339872D structureCHEMBL3964813C32H33ClN6O2S601.1667 / 37.0No
4593952D structureCHEMBL3972991C33H34ClN7OS612.1939 / 27.3No
5579412D structureSCHEMBL15597008C31H27F5N6O2S642.64911 / 37.3No
4594042D structureCHEMBL3900332C31H33F3N6OS594.70111 / 27.2No
4425172D structureCHEMBL3314310C30H24F5N3O3569.5329 / 37.7No
5579572D structureSCHEMBL17077215C30H26F4N4O3566.5579 / 37.0No
219472D structureCHEMBL3287052C33H37F3N4O5626.67710 / 36.9No
5365572D structureSCHEMBL15596945C30H23Cl2FN4O2S593.4986 / 38.5No
5365582D structureSCHEMBL15596944C26H22F7N3O3557.46911 / 37.4No
5579742D structureCHEMBL3951413C37H35ClFN7O2S2728.30210 / 39.1No
5339982D structureCHEMBL3930322C31H34F4N4O2570.6338 / 36.9No
5365692D structureSCHEMBL15597099C24H20Br2N4O2S588.3185 / 36.9No
237082D structureCHEMBL3263067C36H42F3N5OS649.82110 / 29.9No
238192D structureCID 136825090C53H38N6Na6O23S61457.228 / 6N/ANo
5365952D structureSCHEMBL15597151C28H23ClF3N3O3S574.0158 / 38.2No
247852D structureCHEMBL255454C27H25ClN4O4504.9715 / 35.7No
5580482D structureSCHEMBL15597039C31H24ClF3N4O4609.0029 / 38.0No
252812D structureCHEMBL255307C25H22F3N5O3497.4788 / 26.0No
256452D structureCHEMBL2071529C19H18ClN5O5S463.8938 / 33.5Yes
266552D structureCHEMBL3103629C23H20F3N3O2427.4276 / 25.7No
268632D structureCHEMBL255724C31H34N4O2494.6393 / 28.0No
5581012D structureSCHEMBL17077171C31H22ClF2N5O2S2634.1179 / 38.5No
5366972D structureSCHEMBL17077132C28H30F3N5O2S557.6369 / 35.7No
278992D structureCHEMBL2393202C25H27N5OS445.5857 / 16.5No
5581162D structureCHEMBL3981726C34H34Cl2N6O2S2693.7068 / 39.0No
288142D structureCHEMBL256944C28H27ClN4O4S551.0585 / 25.3No
5581532D structureSCHEMBL17077140C31H22ClF2N5O2S2634.1179 / 38.5No
291642D structureCHEMBL1162203C25H31FN6O23P4926.43524 / 11-7.8No
5340202D structureCHEMBL3894893C37H35ClF4N6O2S739.23111 / 38.9No
304012D structureCHEMBL2071542C21H18N2O6S426.4437 / 22.8Yes
4594782D structureCHEMBL3932713C30H33ClN6OS561.1458 / 26.9No
308252D structureCHEMBL2333757C20H16F3N3O2387.3626 / 24.1Yes
5340272D structureCHEMBL3944036C31H33F5N4O2588.6239 / 37.0No
5367752D structureSCHEMBL15597046C31H29F2N5O3S589.6629 / 37.5No
5340292D structureCHEMBL3955518C30H31Cl2FN6O2S629.5768 / 37.6No
5582392D structureSCHEMBL15597131C32H27F3N4O5604.58610 / 37.4No
339492D structureCHEMBL256088C28H27ClN4O2487.03 / 27.3No
5368682D structureSCHEMBL15597162C27H21F5N4O2S560.54310 / 36.8No
5368942D structureSCHEMBL15596998C33H32F4N4O3608.6389 / 37.5No
362082D structureCHEMBL405500C55H42N6Na6O23S61485.2623 / 6N/ANo
365052D structureCHEMBL2333361C19H12Cl2F3N3O2442.2196 / 25.4No
5584072D structureSCHEMBL15596915C34H43FN4O2558.7425 / 37.6No
379812D structureCHEMBL2333771C26H31N3O2417.5533 / 26.6No

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